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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.5446
LDB: Largest compute 200 load 0.432016 is 1.2% of average load 36.819327
LDB: Average compute 0.051562 is 0.1% of average load 36.819327
LDB: Partitioning computes with target load 3.681933
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055510
LDB: ============== END OF LOAD BALANCING =============== 54.5467
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5476
Info: Initial time: 4 CPUs 0.473974 s/step 5.48581 days/ns 3221.62 MB memory
TIMING: 100 CPU: 48.3712, 0.472961/step Wall: 48.3712, 0.472961/step, 0.0525512 hours remaining, 3221.621094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.9871
LDB: ============== END OF LOAD BALANCING =============== 63.9871
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9876
TIMING: 120 CPU: 57.8108, 0.471983/step Wall: 57.8108, 0.471983/step, 0.0498205 hours remaining, 3221.804688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 127 20034.1247 19457.5518 5728.8730 183.8512 -331985.2679 21088.4979 0.0000 0.0000 43047.2720 -222445.0973 156.5941 -265492.3693 -222223.2518 156.5941 -2122.5054 -2533.3235 921491.4634 -2122.5054 -2533.3235
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7761 5736.4508 185.0194 -334776.0138 21118.0422 0.0000 0.0000 44811.1497 -222472.9669 163.0106 -267284.1166 -222216.5366 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2645 21105.7069 0.0000 0.0000 44221.5103 -222488.2061 160.8657 -266709.7164 -222215.1806 160.8657 -5164.7864 -2872.9598 921491.4634 -5164.7864 -2872.9598
ENERGY: 132 21696.5183 20951.9797 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0589 155.4477 -265169.1856 -222222.8145 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7010 21939.4306 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1886 -222209.0242 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 135 18735.1491 22221.9401 5757.7067 193.2251 -332860.3439 20999.0422 0.0000 0.0000 42497.1277 -222456.1530 154.5929 -264953.2807 -222204.4869 154.5929 191.9084 -2745.1432 921491.4634 191.9084 -2745.1432
ENERGY: 136 18381.4538 21453.0792 5750.0867 193.4037 -332655.7486 21006.3294 0.0000 0.0000 43348.3541 -222523.0417 157.6894 -265871.3958 -222211.0693 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
ENERGY: 137 19975.5715 20347.8314 5740.3098 193.2572 -332832.5917 21040.1066 0.0000 0.0000 43092.4469 -222443.0683 156.7585 -265535.5152 -222209.8937 156.7585 -927.2502 -2841.0685 921491.4634 -927.2502 -2841.0685
ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3362 21115.6332 0.0000 0.0000 43705.6788 -222391.1635 158.9892 -266096.8423 -222217.3488 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.2443, 0.471674/step Wall: 67.2443, 0.471674/step, 0.0471674 hours remaining, 3221.937500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1432 164.2224 -267695.3945 -222224.0361 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5244 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.6692, 0.471245/step Wall: 76.6692, 0.471245/step, 0.0445065 hours remaining, 3222.261719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6499 20887.8857 0.0000 0.0000 43070.6067 -222342.9107 156.6790 -265413.5174 -222161.4909 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8226 20884.6196 0.0000 0.0000 43005.6962 -222309.0507 156.4429 -265314.7469 -222160.7804 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2129 20943.2096 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2413 20981.6519 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0829, 0.470682/step Wall: 86.0829, 0.470682/step, 0.0418384 hours remaining, 3222.261719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8756 19424.9914 5710.5468 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0937 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3670 19122.7581 5714.1451 184.7200 -332668.2734 21129.4588 0.0000 0.0000 42574.3654 -222242.4589 154.8738 -264816.8244 -222086.7182 154.8738 -3040.7438 -2596.5495 921491.4634 -3040.7438 -2596.5495
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3186 -222090.4394 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.672
LDB: Largest compute 200 load 0.426442 is 1.2% of average load 36.642568
LDB: Average compute 0.051302 is 0.1% of average load 36.642568
LDB: TIME 101.674 LOAD: AVG 36.6426 MAX 37.6847 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 101.676 LOAD: AVG 36.6426 MAX 37.5417 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 101.678
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.681
Info: Initial time: 4 CPUs 0.471176 s/step 5.45343 days/ns 3223.29 MB memory
TIMING: 200 CPU: 95.4987, 0.470793/step Wall: 95.4987, 0.470793/step, 0.0392328 hours remaining, 3223.292969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2806 21209.9248 0.0000 0.0000 45319.1601 -222569.9768 164.8586 -267889.1368 -222114.5241 164.8586 -5241.8523 -2703.6811 921491.4634 -5241.8523 -2703.6811
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4188 -334751.7126 21239.1341 0.0000 0.0000 43222.4695 -222327.9738 157.2315 -265550.4434 -222100.1075 157.2315 -4546.2002 -2661.1899 921491.4634 -4546.2002 -2661.1899
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3001 21243.2752 0.0000 0.0000 42432.5588 -222241.0643 154.3580 -264673.6231 -222096.8287 154.3580 -3005.0516 -2588.0012 921491.4634 -3005.0516 -2588.0012
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9368 21215.8254 0.0000 0.0000 44059.6986 -222431.1630 160.2771 -266490.8616 -222093.6423 160.2771 -1046.8256 -2512.4433 921491.4634 -1046.8256 -2512.4433
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2198 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2550 21197.9186 0.0000 0.0000 44690.7149 -222526.2117 162.5725 -267216.9266 -222099.8061 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8901 20170.9985 5732.9811 187.6404 -332716.3433 21241.8391 0.0000 0.0000 42439.0584 -222274.9357 154.3816 -264713.9941 -222100.3397 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9790 21289.9001 0.0000 0.0000 42143.6913 -222226.4459 153.3072 -264370.1372 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6269 -222472.1865 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2411 21349.5044 0.0000 0.0000 46273.6800 -222642.3814 168.3309 -268916.0615 -222106.7899 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2569 5705.3139 178.4614 -336615.7766 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8413 -222106.8540 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.911, 0.470598/step Wall: 104.911, 0.470598/step, 0.036602 hours remaining, 3223.292969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.314, 0.47017/step Wall: 114.314, 0.47017/step, 0.0339568 hours remaining, 3223.292969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0419 20119.9134 5760.6909 171.4213 -335766.3622 21854.4253 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0953 155.1180 -3844.9084 -2568.3895 921491.4634 -3844.9084 -2568.3895
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ENERGY: 242 22110.7715 20111.8208 5758.5348 169.0441 -335904.8193 21831.0568 0.0000 0.0000 43526.8718 -222396.7195 158.3388 -265923.5913 -222063.5736 158.3388 -4623.1688 -2633.0912 921491.4634 -4623.1688 -2633.0912
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7065 21770.4748 0.0000 0.0000 45537.0688 -222575.9245 165.6513 -268112.9934 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6006 21720.5676 0.0000 0.0000 45629.1661 -222554.1193 165.9864 -268183.2854 -222078.7769 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7599 5725.7784 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4298 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1600 5733.2541 193.8023 -336093.2674 21826.9295 0.0000 0.0000 43905.3719 -222425.8455 159.7157 -266331.2174 -222091.3304 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8637 19667.1123 5729.5496 195.2411 -334977.1804 21784.0536 0.0000 0.0000 45520.0191 -222581.3410 165.5893 -268101.3602 -222082.7204 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
ENERGY: 254 19073.0881 19348.2296 5720.5008 195.9622 -333839.8795 21752.6524 0.0000 0.0000 45220.9195 -222528.5270 164.5013 -267749.4465 -222080.4684 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9230 21746.1515 0.0000 0.0000 43667.4212 -222349.0409 158.8501 -266016.4621 -222078.3974 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1872 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5468 -222428.4892 161.8371 -266917.0360 -222060.1685 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2577 -222556.7763 166.5942 -268353.0341 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.71, 0.469789/step Wall: 123.71, 0.469789/step, 0.0313193 hours remaining, 3223.730469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9541 19188.2461 5675.1875 191.0393 -336169.7726 21924.7892 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5563 -222069.6814 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
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ENERGY: 262 21606.2723 19814.6777 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4507 -222052.4325 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7770 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9510 21907.7771 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6632 21906.0162 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0574 -2683.6034 921491.4634 -2038.0574 -2683.6034
ENERGY: 266 20048.7900 20788.8701 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4856 21930.8373 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9161 20375.7517 5700.1930 187.9286 -335513.7450 21959.1256 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1931 19450.9168 5690.3173 187.1618 -336650.6774 22028.8069 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5821 19078.8066 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4472 -222406.5213 163.0772 -267235.9684 -222066.8387 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0185 -222081.1572 165.9083 -2551.9682 -2501.8805 921491.4634 -2551.9682 -2501.8805
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7010 21985.5295 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5270 -222412.2141 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3451 21997.2386 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.1000 22041.3358 0.0000 0.0000 44532.2538 -222463.7062 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3648 19593.9430 5677.5176 184.5187 -335888.5797 22096.4199 0.0000 0.0000 43975.0878 -222376.7280 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.087, 0.468872/step Wall: 133.087, 0.468872/step, 0.0286533 hours remaining, 3223.730469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5379 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3368 -222526.2579 166.6927 -268349.5946 -222063.3317 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9199 22171.0648 0.0000 0.0000 45328.8518 -222487.2588 164.8939 -267816.1106 -222060.8460 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1966 22167.0165 0.0000 0.0000 43418.2628 -222354.5545 157.9437 -265772.8174 -222053.5967 157.9437 -1010.8439 -2700.0820 921491.4634 -1010.8439 -2700.0820
ENERGY: 286 19396.6310 20966.5624 5721.5031 185.8229 -334658.1149 22176.6863 0.0000 0.0000 43785.6879 -222425.2212 159.2803 -266210.9092 -222054.0582 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9436 -222485.6059 161.0892 -266768.5495 -222055.7253 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2087 20475.2852 5736.9557 182.7335 -335468.3148 22237.9037 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2279 -222066.9054 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.67
LDB: Largest compute 200 load 0.519860 is 1.1% of average load 45.791566
LDB: Average compute 0.064111 is 0.1% of average load 45.791566
LDB: TIME 148.672 LOAD: AVG 45.7916 MAX 46.9821 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 148.673 LOAD: AVG 45.7916 MAX 46.9821 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 148.688 LOAD: AVG 45.7916 MAX 46.3065 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 148.689
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.69
Info: Initial time: 4 CPUs 0.469595 s/step 5.43513 days/ns 3224.14 MB memory
TIMING: 300 CPU: 142.479, 0.469573/step Wall: 142.479, 0.469573/step, 0.0260874 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.715, 0.461812/step Wall: 151.715, 0.461812/step, 0.0230906 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.939, 0.461224/step Wall: 160.939, 0.461224/step, 0.0204988 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.159, 0.460977/step Wall: 170.159, 0.460977/step, 0.0179269 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 360 21112.5811 20418.0336 5690.9151 182.1442 -338077.5506 22797.1676 0.0000 0.0000 45362.4566 -222514.2524 165.0161 -267876.7090 -222065.3877 165.0161 -3505.9502 -2622.8571 921491.4634 -3505.9502 -2622.8571
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ENERGY: 362 22808.5999 20031.2790 5688.3203 181.6678 -338079.7609 22835.7525 0.0000 0.0000 44200.9552 -222333.1862 160.7909 -266534.1414 -222051.2757 160.7909 -3087.0693 -2583.1905 921491.4634 -3087.0693 -2583.1905
ENERGY: 363 21303.6019 19794.1188 5692.1162 181.3427 -337235.0087 22818.0651 0.0000 0.0000 45033.6627 -222412.1015 163.8201 -267445.7641 -222049.5300 163.8201 -2242.6816 -2529.7064 921491.4634 -2242.6816 -2529.7064
ENERGY: 364 19323.8975 19612.6013 5699.8913 181.0103 -336175.1997 22790.5193 0.0000 0.0000 46034.3489 -222532.9312 167.4603 -268567.2800 -222068.5917 167.4603 -1420.0423 -2476.3755 921491.4634 -1420.0423 -2476.3755
ENERGY: 365 18830.5841 19548.3419 5710.7558 180.6856 -335316.0969 22775.7830 0.0000 0.0000 45760.0888 -222509.8576 166.4626 -268269.9464 -222057.4401 166.4626 -1100.2606 -2433.4821 921491.4634 -1100.2606 -2433.4821
ENERGY: 366 19854.2639 19578.5647 5722.5902 180.3919 -334923.1929 22780.3502 0.0000 0.0000 44422.2472 -222384.7848 161.5959 -266807.0320 -222057.2776 161.5959 -1392.6926 -2417.6862 921491.4634 -1392.6926 -2417.6862
ENERGY: 367 20741.0597 19662.8833 5732.9484 180.1165 -335098.3158 22794.3495 0.0000 0.0000 43662.6186 -222324.3399 158.8326 -265986.9585 -222058.3712 158.8326 -2104.1274 -2437.9267 921491.4634 -2104.1274 -2437.9267
ENERGY: 368 20561.5938 19748.2119 5739.6691 179.8275 -335728.0876 22808.6653 0.0000 0.0000 44272.8407 -222417.2794 161.0524 -266690.1201 -222068.2913 161.0524 -2928.4888 -2487.3070 921491.4634 -2928.4888 -2487.3070
ENERGY: 369 20346.9678 19812.6206 5741.6369 179.5048 -336580.3310 22825.3360 0.0000 0.0000 45155.6308 -222518.6341 164.2638 -267674.2649 -222061.1002 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3705 19815.7283 5738.6028 179.1429 -337296.0557 22846.3050 0.0000 0.0000 44920.4943 -222493.4117 163.4084 -267413.9061 -222062.2627 163.4084 -4081.4435 -2576.8189 921491.4634 -4081.4435 -2576.8189
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ENERGY: 374 19285.9366 19613.0722 5706.5680 179.1985 -336019.1241 22785.5049 0.0000 0.0000 45912.3281 -222536.5159 167.0164 -268448.8440 -222048.2693 167.0164 -983.4305 -2469.0311 921491.4634 -983.4305 -2469.0311
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ENERGY: 376 19884.0274 19962.1766 5703.2010 181.1433 -335321.8638 22772.8701 0.0000 0.0000 44434.3276 -222384.1177 161.6399 -266818.4453 -222050.5531 161.6399 -874.6223 -2439.6903 921491.4634 -874.6223 -2439.6903
ENERGY: 377 20646.4609 20251.1595 5706.5521 182.3249 -335763.5808 22794.3774 0.0000 0.0000 43848.2755 -222334.4304 159.5080 -266182.7059 -222041.4015 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8100 20495.6596 5711.4639 183.2952 -336584.2284 22821.5837 0.0000 0.0000 44474.7537 -222423.6623 161.7869 -266898.4160 -222044.3969 161.7869 -2972.9875 -2523.3499 921491.4634 -2972.9875 -2523.3499
ENERGY: 379 20419.4575 20623.8793 5716.2160 183.8420 -337495.6099 22854.5153 0.0000 0.0000 45185.6415 -222512.0584 164.3729 -267697.6999 -222047.0131 164.3729 -3997.4172 -2563.3072 921491.4634 -3997.4172 -2563.3072
TIMING: 380 CPU: 179.373, 0.460687/step Wall: 179.373, 0.460687/step, 0.0153562 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 380 21458.1129 20605.4121 5719.3306 183.8284 -338176.3453 22892.6529 0.0000 0.0000 44833.7903 -222483.2182 163.0930 -267317.0085 -222063.6480 163.0930 -4580.2701 -2564.2101 921491.4634 -4580.2701 -2564.2101
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ENERGY: 382 22844.1901 20220.4985 5718.3197 182.2157 -338010.6534 22930.5473 0.0000 0.0000 43766.5301 -222348.3519 159.2106 -266114.8820 -222051.0363 159.2106 -3524.7147 -2418.5488 921491.4634 -3524.7147 -2418.5488
ENERGY: 383 21263.6992 19910.9245 5714.6670 180.7420 -337128.0228 22911.2845 0.0000 0.0000 44707.9446 -222438.7611 162.6352 -267146.7057 -222048.1880 162.6352 -2023.0801 -2294.0132 921491.4634 -2023.0801 -2294.0132
ENERGY: 384 19625.4114 19596.0352 5710.5349 179.0647 -336052.0491 22884.2534 0.0000 0.0000 45539.1835 -222517.5660 165.6590 -268056.7495 -222062.0928 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8183 19356.8910 5707.7751 177.4354 -335210.6406 22871.6143 0.0000 0.0000 45299.7173 -222469.3891 164.7879 -267769.1064 -222051.0995 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2275 19220.9463 5707.6637 175.9384 -334865.1823 22880.7957 0.0000 0.0000 44519.8588 -222378.7517 161.9510 -266898.6105 -222051.0439 161.9510 122.6667 -2011.2429 921491.4634 122.6667 -2011.2429
ENERGY: 387 20367.2861 19202.4844 5710.9354 174.6759 -335109.8731 22905.2743 0.0000 0.0000 44377.1818 -222372.0351 161.4320 -266749.2169 -222053.0052 161.4320 -738.9588 -2019.1690 921491.4634 -738.9588 -2019.1690
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1521 22938.2899 0.0000 0.0000 44972.7764 -222459.6731 163.5986 -267432.4495 -222067.4818 163.5986 -2063.8555 -2076.2821 921491.4634 -2063.8555 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5050 19598.7449 5733.9032 172.7580 -337596.2514 23021.3362 0.0000 0.0000 44698.9840 -222441.0202 162.6026 -267140.0042 -222061.4795 162.6026 -4540.4922 -2229.7773 921491.4634 -4540.4922 -2229.7773
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ENERGY: 397 19906.7785 20200.7713 5721.4919 176.2273 -336102.8184 22990.0375 0.0000 0.0000 44712.8676 -222394.6443 162.6531 -267107.5119 -222042.6601 162.6531 -376.0865 -2327.2102 921491.4634 -376.0865 -2327.2102
ENERGY: 398 19692.8116 20133.3594 5716.9813 176.0456 -336812.3386 23014.0586 0.0000 0.0000 45592.7323 -222486.3498 165.8538 -268079.0821 -222045.7224 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
ENERGY: 399 20395.5107 20061.2893 5714.6367 175.4775 -337634.0290 23050.4588 0.0000 0.0000 45731.2028 -222505.4533 166.3575 -268236.6561 -222049.1605 166.3575 -3349.4392 -2564.3619 921491.4634 -3349.4392 -2564.3619
LDB: ============= START OF LOAD BALANCING ============== 194.8
LDB: Largest compute 230 load 0.527964 is 1.2% of average load 45.669277
LDB: Average compute 0.063927 is 0.1% of average load 45.669277
LDB: TIME 194.802 LOAD: AVG 45.6693 MAX 46.1097 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 194.802 LOAD: AVG 45.6693 MAX 46.1097 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 194.802 LOAD: AVG 45.6693 MAX 46.1097 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 194.803
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.804
Info: Benchmark time: 4 CPUs 0.461037 s/step 5.33607 days/ns 3224.14 MB memory
TIMING: 400 CPU: 188.586, 0.460683/step Wall: 188.586, 0.460683/step, 0.0127967 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 400 21983.9555 19981.4882 5714.2278 174.7229 -338264.6731 23090.3530 0.0000 0.0000 44890.2684 -222429.6573 163.2985 -267319.9257 -222060.6833 163.2985 -4748.6077 -2656.9997 921491.4634 -4748.6077 -2656.9997
ENERGY: 401 23053.7071 19909.1477 5715.0562 174.0723 -338477.1026 23114.9569 0.0000 0.0000 44157.6679 -222352.4945 160.6335 -266510.1624 -222050.1992 160.6335 -5384.8813 -2700.1793 921491.4634 -5384.8813 -2700.1793
ENERGY: 402 22444.0478 19835.9107 5715.8942 173.8391 -338107.6290 23109.6381 0.0000 0.0000 44436.8099 -222391.4892 161.6489 -266828.2990 -222049.2228 161.6489 -4939.3792 -2681.7024 921491.4634 -4939.3792 -2681.7024
ENERGY: 403 20784.9694 19778.4827 5715.7218 174.2695 -337239.9787 23077.8405 0.0000 0.0000 45225.5963 -222483.0986 164.5183 -267708.6949 -222046.6856 164.5183 -3613.5975 -2605.7427 921491.4634 -3613.5975 -2605.7427
ENERGY: 404 19687.5953 19735.4027 5713.8114 175.5084 -336169.1143 23038.2904 0.0000 0.0000 45313.8393 -222504.6669 164.8393 -267818.5062 -222060.2371 164.8393 -1967.0745 -2494.0437 921491.4634 -1967.0745 -2494.0437
ENERGY: 405 19798.8802 19696.7724 5710.0280 177.6161 -335317.9352 23008.3952 0.0000 0.0000 44511.4435 -222414.7997 161.9204 -266926.2432 -222047.5589 161.9204 -627.4748 -2380.7861 921491.4634 -627.4748 -2380.7861
ENERGY: 406 20210.3505 19614.0443 5704.4964 180.4779 -334953.8242 22994.4767 0.0000 0.0000 43902.7663 -222347.2121 159.7062 -266249.9784 -222046.2404 159.7062 66.0352 -2300.4794 921491.4634 66.0352 -2300.4794
ENERGY: 407 20044.4889 19493.9064 5698.1032 183.8794 -335181.5238 22996.8166 0.0000 0.0000 44376.0634 -222388.2659 161.4279 -266764.3294 -222047.0770 161.4279 -41.3220 -2272.9968 921491.4634 -41.3220 -2272.9968
ENERGY: 408 19735.8471 19387.6645 5692.2151 187.5226 -335902.8226 23017.8179 0.0000 0.0000 45394.4120 -222487.3434 165.1324 -267881.7554 -222063.5313 165.1324 -920.8282 -2294.1555 921491.4634 -920.8282 -2294.1555
ENERGY: 409 20350.1188 19376.4608 5688.4775 191.1593 -336896.6854 23057.9928 0.0000 0.0000 45733.6058 -222498.8705 166.3663 -268232.4763 -222051.6706 166.3663 -2367.4919 -2346.9324 921491.4634 -2367.4919 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1804 5687.6649 194.4179 -337813.1853 23106.2035 0.0000 0.0000 45077.0714 -222427.1262 163.9780 -267504.1976 -222054.6429 163.9780 -3838.6210 -2402.0238 921491.4634 -3838.6210 -2402.0238
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ENERGY: 412 22535.8950 19878.8224 5694.3233 198.8205 -338356.4981 23146.2943 0.0000 0.0000 44499.5084 -222402.8343 161.8770 -266902.3427 -222068.4599 161.8770 -4717.2135 -2436.3026 921491.4634 -4717.2135 -2436.3026
ENERGY: 413 21130.1416 20138.5252 5699.9334 199.7191 -337872.5326 23125.1123 0.0000 0.0000 45113.2141 -222465.8870 164.1095 -267579.1011 -222055.3453 164.1095 -3850.6265 -2398.9547 921491.4634 -3850.6265 -2398.9547
ENERGY: 414 19987.3856 20381.5509 5705.1135 199.5118 -337122.7806 23094.4565 0.0000 0.0000 45271.6526 -222483.1098 164.6858 -267754.7624 -222052.1624 164.6858 -2501.3239 -2333.9462 921491.4634 -2501.3239 -2333.9462
ENERGY: 415 19745.2666 20572.1262 5708.7452 198.1487 -336456.1982 23071.1998 0.0000 0.0000 44733.2272 -222427.4845 162.7272 -267160.7117 -222049.0346 162.7272 -1174.6450 -2266.5613 921491.4634 -1174.6450 -2266.5613
ENERGY: 416 19942.3170 20661.9899 5710.0857 195.6953 -336157.5872 23063.1722 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7613 -2224.6895 921491.4634 -282.7613 -2224.6895
ENERGY: 417 20031.3750 20631.3211 5709.0494 192.4696 -336373.1086 23072.1105 0.0000 0.0000 44338.4619 -222398.3211 161.2911 -266736.7829 -222044.6994 161.2911 -112.4553 -2227.1698 921491.4634 -112.4553 -2227.1698
ENERGY: 418 20154.6648 20457.0911 5705.5847 188.6536 -336970.7878 23098.6733 0.0000 0.0000 44915.1422 -222450.9780 163.3889 -267366.1202 -222046.7094 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6054 -337717.8766 23139.8030 0.0000 0.0000 45250.3101 -222466.3614 164.6082 -267716.6716 -222049.5951 164.6082 -1783.9421 -2336.6463 921491.4634 -1783.9421 -2336.6463
TIMING: 420 CPU: 197.777, 0.459514/step Wall: 197.777, 0.459514/step, 0.0102114 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 420 21812.8758 19887.3911 5695.0415 180.6770 -338321.5520 23183.0581 0.0000 0.0000 45121.9778 -222440.5307 164.1414 -267562.5084 -222061.1150 164.1414 -3051.6028 -2402.9272 921491.4634 -3051.6028 -2402.9272
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ENERGY: 423 21418.8984 19324.4274 5689.6736 172.2145 -337416.8964 23180.6046 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0779 -222051.5234 164.3669 -3955.8304 -2434.9304 921491.4634 -3955.8304 -2434.9304
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3703 20188.6727 5710.3546 168.1086 -338651.2106 23176.0849 0.0000 0.0000 45177.9912 -222461.6284 164.3451 -267639.6196 -222065.9057 164.3451 -3350.2738 -2296.1495 921491.4634 -3350.2738 -2296.1495
ENERGY: 433 21200.9071 20275.9666 5710.3763 168.4633 -338164.0642 23162.2913 0.0000 0.0000 45192.9286 -222453.1309 164.3995 -267646.0596 -222052.5981 164.3995 -3187.3730 -2272.1274 921491.4634 -3187.3730 -2272.1274
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2709 23140.7738 0.0000 0.0000 44883.1000 -222420.9750 163.2724 -267304.0750 -222051.1461 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6560 23123.4100 0.0000 0.0000 44675.9842 -222398.7943 162.5190 -267074.7784 -222049.5887 162.5190 -2061.3581 -2179.8949 921491.4634 -2061.3581 -2179.8949
ENERGY: 436 19670.9244 20349.9983 5717.2345 173.0864 -336303.8818 23119.9080 0.0000 0.0000 44847.0986 -222425.6316 163.1414 -267272.7302 -222059.6958 163.1414 -1520.6598 -2145.1615 921491.4634 -1520.6598 -2145.1615
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ENERGY: 438 19935.1533 20278.6097 5724.6883 179.3848 -336899.4582 23173.5521 0.0000 0.0000 45148.1327 -222459.9372 164.2365 -267608.0699 -222051.5667 164.2365 -1493.0941 -2145.0879 921491.4634 -1493.0941 -2145.0879
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TIMING: 440 CPU: 206.955, 0.458934/step Wall: 206.955, 0.458934/step, 0.0076489 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2373 5729.7527 186.7201 -338123.1812 23276.2487 0.0000 0.0000 44417.5462 -222405.1080 161.5788 -266822.6542 -222059.4774 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
ENERGY: 441 22355.5486 19860.0410 5730.3487 190.1145 -338361.1720 23313.2046 0.0000 0.0000 44502.6966 -222409.2180 161.8886 -266911.9146 -222050.0861 161.8886 -2716.1025 -2221.5313 921491.4634 -2716.1025 -2221.5313
ENERGY: 442 21853.6118 19664.5350 5729.4854 192.9411 -338090.1537 23327.1568 0.0000 0.0000 44880.6321 -222441.7915 163.2634 -267322.4235 -222049.7757 163.2634 -2710.5574 -2229.0696 921491.4634 -2710.5574 -2229.0696
ENERGY: 443 21064.3316 19487.0723 5727.6164 194.9329 -337369.3154 23320.0158 0.0000 0.0000 45118.1108 -222457.2355 164.1273 -267575.3463 -222048.5997 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3363 19357.2690 5725.4095 195.8734 -336464.1927 23301.5276 0.0000 0.0000 44987.7178 -222447.0591 163.6530 -267434.7768 -222057.9800 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
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ENERGY: 446 19947.6807 19324.9006 5722.5430 194.3235 -335494.5714 23276.0451 0.0000 0.0000 44620.2944 -222408.7841 162.3164 -267029.0786 -222046.1623 162.3164 -1800.7521 -2216.7294 921491.4634 -1800.7521 -2216.7294
ENERGY: 447 19914.2851 19416.0210 5722.2107 191.8641 -335769.4406 23282.7458 0.0000 0.0000 44816.5086 -222425.8052 163.0301 -267242.3139 -222046.8345 163.0301 -1993.3115 -2253.0603 921491.4634 -1993.3115 -2253.0603
ENERGY: 448 20187.5923 19583.6800 5722.5764 188.5554 -336503.1804 23303.8904 0.0000 0.0000 45065.6673 -222451.2186 163.9365 -267516.8859 -222059.3481 163.9365 -2372.1879 -2303.7898 921491.4634 -2372.1879 -2303.7898
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1301 5724.4776 181.0897 -338419.3251 23364.6243 0.0000 0.0000 44854.3095 -222432.2087 163.1677 -267286.5182 -222048.7861 163.1677 -3116.6754 -2394.3896 921491.4634 -3116.6754 -2394.3896
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ENERGY: 452 22246.2013 20536.0136 5723.8953 174.8859 -338927.1539 23378.0943 0.0000 0.0000 44452.9194 -222415.1441 161.7075 -266868.0635 -222059.6372 161.7075 -2659.9604 -2384.7568 921491.4634 -2659.9604 -2384.7568
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ENERGY: 455 19486.7907 20584.7123 5718.4844 172.5169 -336790.6458 23290.4023 0.0000 0.0000 45086.5787 -222451.1604 164.0126 -267537.7391 -222040.8571 164.0126 -1151.8827 -2255.8572 921491.4634 -1151.8827 -2255.8572
ENERGY: 456 19493.3724 20440.6804 5717.7556 173.4248 -336350.1082 23274.9631 0.0000 0.0000 44811.4723 -222438.4396 163.0118 -267249.9119 -222055.3487 163.0118 -1305.5008 -2245.5824 921491.4634 -1305.5008 -2245.5824
ENERGY: 457 20047.4933 20251.9438 5718.5580 174.9241 -336395.8172 23277.8274 0.0000 0.0000 44521.8702 -222403.2003 161.9583 -266925.0706 -222049.4133 161.9583 -1906.4169 -2263.5014 921491.4634 -1906.4169 -2263.5014
ENERGY: 458 20585.8437 20019.2726 5720.7060 176.6081 -336835.0965 23294.7173 0.0000 0.0000 44632.7888 -222405.1600 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6990 -2301.0428 921491.4634 -2684.6990 -2301.0428
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TIMING: 460 CPU: 216.137, 0.459094/step Wall: 216.137, 0.459094/step, 0.00510105 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9065 5728.0971 179.4910 -338014.3768 23341.8001 0.0000 0.0000 45423.8567 -222480.6116 165.2395 -267904.4683 -222064.6835 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
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ENERGY: 462 22264.2254 19487.8110 5736.4822 180.9531 -337988.7168 23351.1085 0.0000 0.0000 44559.9293 -222408.2074 162.0968 -266968.1366 -222056.7213 162.0968 -2954.8199 -2323.4252 921491.4634 -2954.8199 -2323.4252
ENERGY: 463 21821.1789 19513.9016 5738.9361 181.1160 -337284.1027 23326.9476 0.0000 0.0000 44313.4573 -222388.5652 161.2002 -266702.0224 -222054.6241 161.2002 -2012.4423 -2264.0779 921491.4634 -2012.4423 -2264.0779
ENERGY: 464 20535.2459 19559.9274 5739.2518 181.0096 -336389.3839 23291.1941 0.0000 0.0000 44654.0269 -222428.7283 162.4391 -267082.7552 -222058.5727 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7828 19631.8856 5737.2898 180.7155 -335701.1534 23259.7390 0.0000 0.0000 45094.5689 -222474.1718 164.0416 -267568.7407 -222052.9386 164.0416 -512.3348 -2174.4008 921491.4634 -512.3348 -2174.4008
ENERGY: 466 19088.4514 19708.3584 5733.2107 180.2808 -335443.7728 23245.0603 0.0000 0.0000 45020.7908 -222467.6205 163.7733 -267488.4113 -222052.9784 163.7733 -630.3317 -2182.6710 921491.4634 -630.3317 -2182.6710
ENERGY: 467 19841.8074 19783.1746 5727.6703 179.7757 -335721.0954 23249.4529 0.0000 0.0000 44523.6665 -222415.5481 161.9649 -266939.2146 -222054.3493 161.9649 -1393.6032 -2232.5924 921491.4634 -1393.6032 -2232.5924
ENERGY: 468 20761.8484 19845.4946 5721.5089 179.2778 -336451.5675 23265.8125 0.0000 0.0000 44291.6586 -222385.9666 161.1209 -266677.6252 -222056.3594 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3017 19910.2025 5715.6824 178.8504 -337458.3210 23284.3961 0.0000 0.0000 44720.3204 -222412.5676 162.6802 -267132.8880 -222046.0753 162.6802 -3596.7407 -2405.7974 921491.4634 -3596.7407 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8938 5710.9491 178.5947 -338383.2515 23297.0672 0.0000 0.0000 45346.4577 -222466.1160 164.9579 -267812.5736 -222047.6092 164.9579 -4259.6995 -2477.6832 921491.4634 -4259.6995 -2477.6832
ENERGY: 471 21732.8677 20054.6838 5707.9626 178.5890 -338913.2458 23297.5085 0.0000 0.0000 45471.3369 -222470.2974 165.4122 -267941.6342 -222047.5362 165.4122 -4290.5682 -2504.3176 921491.4634 -4290.5682 -2504.3176
ENERGY: 472 22081.2360 20161.5554 5707.0091 178.9047 -338870.6772 23279.4491 0.0000 0.0000 45028.5299 -222433.9931 163.8014 -267462.5230 -222059.5060 163.8014 -3659.7359 -2479.9185 921491.4634 -3659.7359 -2479.9185
ENERGY: 473 21866.1360 20289.3428 5707.9843 179.6165 -338307.7196 23240.7364 0.0000 0.0000 44634.5176 -222389.3861 162.3681 -267023.9037 -222043.8541 162.3681 -2556.3615 -2408.1659 921491.4634 -2556.3615 -2408.1659
ENERGY: 474 20842.9702 20372.0988 5710.2160 180.7466 -337438.4559 23189.2349 0.0000 0.0000 44733.2309 -222409.9583 162.7272 -267143.1892 -222041.2621 162.7272 -1295.5526 -2316.2730 921491.4634 -1295.5526 -2316.2730
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2321 23142.3819 0.0000 0.0000 45070.2140 -222450.4218 163.9531 -267520.6358 -222039.4532 163.9531 -344.6452 -2232.2127 921491.4634 -344.6452 -2232.2127
ENERGY: 476 19235.7864 20282.0276 5715.7683 184.0125 -336100.0911 23115.8468 0.0000 0.0000 45106.0634 -222460.5861 164.0835 -267566.6495 -222053.6137 164.0835 -92.4053 -2183.0653 921491.4634 -92.4053 -2183.0653
ENERGY: 477 19704.7253 20145.9814 5718.4976 185.9230 -336101.8798 23114.2941 0.0000 0.0000 44812.3209 -222420.1374 163.0149 -267232.4583 -222044.8411 163.0149 -667.4950 -2171.8229 921491.4634 -667.4950 -2171.8229
ENERGY: 478 20493.4779 19974.7638 5721.0254 187.7262 -336537.4044 23131.2462 0.0000 0.0000 44627.0335 -222402.1314 162.3409 -267029.1649 -222047.4106 162.3409 -1807.1607 -2198.7956 921491.4634 -1807.1607 -2198.7956
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5845 23156.6774 0.0000 0.0000 44802.1581 -222425.5082 162.9779 -267227.6663 -222050.5459 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.31, 0.458614/step Wall: 225.31, 0.458614/step, 0.00254786 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1964 5725.3111 190.1900 -337854.6793 23181.5120 0.0000 0.0000 45051.6817 -222458.7553 163.8856 -267510.4370 -222064.6212 163.8856 -4077.7325 -2291.4892 921491.4634 -4077.7325 -2291.4892
ENERGY: 481 22092.4854 19510.0433 5727.0952 190.6351 -338199.2488 23196.7961 0.0000 0.0000 45041.3371 -222440.8566 163.8480 -267482.1936 -222052.5268 163.8480 -4466.2391 -2305.6733 921491.4634 -4466.2391 -2305.6733
ENERGY: 482 22186.3467 19466.6795 5728.4963 190.3598 -338044.5425 23192.7476 0.0000 0.0000 44865.8523 -222414.0603 163.2096 -267279.9126 -222051.4115 163.2096 -4059.3095 -2278.0615 921491.4634 -4059.3095 -2278.0615
ENERGY: 483 21553.1412 19511.5747 5729.5660 189.3226 -337426.2192 23165.8742 0.0000 0.0000 44861.8973 -222414.8432 163.1953 -267276.7405 -222048.7675 163.1953 -2964.1720 -2216.4116 921491.4634 -2964.1720 -2216.4116
ENERGY: 484 20460.8924 19631.1942 5730.2465 187.5454 -336590.8890 23126.1353 0.0000 0.0000 45003.6035 -222451.2716 163.7107 -267454.8751 -222059.8741 163.7107 -1565.2424 -2143.1849 921491.4634 -1565.2424 -2143.1849
ENERGY: 485 19688.7721 19800.2995 5730.5256 185.2458 -335902.5874 23092.8472 0.0000 0.0000 44955.5727 -222449.3245 163.5360 -267404.8972 -222045.9605 163.5360 -422.1570 -2086.8735 921491.4634 -422.1570 -2086.8735
ENERGY: 486 19602.5430 19954.8181 5729.7197 182.4662 -335612.3578 23080.3809 0.0000 0.0000 44645.9118 -222416.5181 162.4096 -267062.4299 -222044.6760 162.4096 87.3178 -2070.0982 921491.4634 87.3178 -2070.0982
ENERGY: 487 19881.0929 20072.0218 5727.4347 179.4360 -335846.4494 23091.0546 0.0000 0.0000 44503.3496 -222392.0598 161.8910 -266895.4094 -222045.2406 161.8910 -192.2349 -2106.8840 921491.4634 -192.2349 -2106.8840
ENERGY: 488 20125.2100 20156.1367 5723.5440 176.4338 -336552.5466 23118.8618 0.0000 0.0000 44827.0561 -222425.3042 163.0685 -267252.3602 -222057.1939 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8872 20236.4615 5718.5748 173.8639 -337540.4669 23156.7312 0.0000 0.0000 45266.1009 -222461.8474 164.6656 -267727.9483 -222045.6086 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9028 5712.8912 171.8438 -338458.1374 23196.4879 0.0000 0.0000 45213.5634 -222459.6994 164.4745 -267673.2628 -222048.2208 164.4745 -3823.4037 -2437.4155 921491.4634 -3823.4037 -2437.4155
ENERGY: 491 22430.4640 20312.1367 5707.3794 170.5404 -338984.5805 23226.0939 0.0000 0.0000 44733.0092 -222404.9569 162.7264 -267137.9661 -222049.4639 162.7264 -4629.6932 -2524.6215 921491.4634 -4629.6932 -2524.6215
ENERGY: 492 22612.9548 20289.6817 5702.9944 170.0207 -338937.5827 23232.7207 0.0000 0.0000 44542.1952 -222387.0152 162.0323 -266929.2104 -222060.3862 162.0323 -4606.8522 -2557.4730 921491.4634 -4606.8522 -2557.4730
ENERGY: 493 21558.2188 20260.7380 5700.7778 170.3200 -338358.0643 23214.0539 0.0000 0.0000 45033.8230 -222420.1327 163.8207 -267453.9557 -222046.5902 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0266 5700.9805 171.2193 -337454.3843 23183.0798 0.0000 0.0000 45622.2474 -222483.4941 165.9612 -268105.7415 -222044.0869 165.9612 -2500.8993 -2482.1068 921491.4634 -2500.8993 -2482.1068
ENERGY: 495 19383.2463 20186.8305 5703.5926 172.5416 -336566.9893 23159.4628 0.0000 0.0000 45484.1228 -222477.1927 165.4587 -267961.3155 -222041.5565 165.4587 -1249.6839 -2407.3055 921491.4634 -1249.6839 -2407.3055
ENERGY: 496 19722.4835 20130.6475 5708.0350 174.0933 -335998.7160 23154.2639 0.0000 0.0000 44699.5266 -222409.6661 162.6046 -267109.1927 -222049.0671 162.6046 -478.8998 -2343.4749 921491.4634 -478.8998 -2343.4749
ENERGY: 497 20212.6669 20059.9177 5713.4612 175.7242 -335952.5045 23166.3550 0.0000 0.0000 44261.0283 -222363.3511 161.0095 -266624.3794 -222042.7501 161.0095 -421.0232 -2316.7926 921491.4634 -421.0232 -2316.7926
ENERGY: 498 20182.0165 19957.1216 5718.5596 177.2604 -336366.4934 23189.3590 0.0000 0.0000 44728.2529 -222413.9234 162.7091 -267142.1763 -222044.5220 162.7091 -993.4678 -2331.6470 921491.4634 -993.4678 -2331.6470
ENERGY: 499 20158.0677 19847.7308 5722.4089 178.6361 -337058.4824 23219.2410 0.0000 0.0000 45439.2639 -222493.1340 165.2956 -267932.3979 -222047.2063 165.2956 -2020.8684 -2376.3388 921491.4634 -2020.8684 -2376.3388
Info: Benchmark time: 4 CPUs 0.458216 s/step 5.30342 days/ns 3224.14 MB memory
TIMING: 500 CPU: 234.408, 0.454931/step Wall: 234.408, 0.454931/step, 0 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8935 19756.6583 5724.4523 179.8271 -337741.4192 23251.1015 0.0000 0.0000 45359.0772 -222495.4093 165.0039 -267854.4865 -222061.0911 165.0039 -3197.5163 -2425.4139 921491.4634 -3197.5163 -2425.4139
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.398 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.398 MB of memory in use
====================================================
WallClock: 241.513092 CPUTime: 241.513092 Memory: 3229.398438 MB
[Partition 0][Node 0] End of program
Application 109189725 resources: utime ~948s, stime ~20s, Rss ~126880, inblocks ~67004, outblocks ~72238
Displaying status file:
verified
WALL=241.513092
CPU=241.513092
MEM=3229.398438
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins395480925765610237.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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